2012Highlights in theoretical chemistryRequires access

Modelling vibrational coupling in DNA oligomers: a computational strategy combining QM and continuum solvation models

Alessandro Biancardi, Roberto Cammi, Chiara Cappelli, Benedetta Mennucci, Jacopo Tomasi

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Key concepts: QM/MM, Solvation, Implicit solvation, Coupling (piping), Materials science, Chemical physics, Computational chemistry, Physics

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